4-(4-chloro-3-fluorophenoxy)-3,5-difluorobenzenecarboximidamide

C13H8ClF3N2O — CID 82717295

IUPAC4-(4-chloro-3-fluorophenoxy)-3,5-difluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)c(Oc2ccc(Cl)c(F)c2)c(F)c1
InChIInChI=1S/C13H8ClF3N2O/c14-8-2-1-7(5-9(8)15)20-12-10(16)3-6(13(18)19)4-11(12)17/h1-5H,(H3,18,19)
InChIKeyKXRAMXPVTGRZAS-UHFFFAOYSA-N
MW300.67 g/mol
LogP3.83
Rot. Bonds3

About 4-(4-chloro-3-fluorophenoxy)-3,5-difluorobenzenecarboximidamide

4-(4-chloro-3-fluorophenoxy)-3,5-difluorobenzenecarboximidamide (PubChem CID 82717295) has the molecular formula C13H8ClF3N2O and a molecular weight of 300.67 g/mol. Its IUPAC name is 4-(4-chloro-3-fluorophenoxy)-3,5-difluorobenzenecarboximidamide.

Molecular Properties

Compound Name4-(4-chloro-3-fluorophenoxy)-3,5-difluorobenzenecarboximidamide
PubChem CID82717295
Molecular FormulaC13H8ClF3N2O
Molecular Weight300.67 g/mol
Exact Mass300.03
IUPAC Name4-(4-chloro-3-fluorophenoxy)-3,5-difluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)c(Oc2ccc(Cl)c(F)c2)c(F)c1
InChIInChI=1S/C13H8ClF3N2O/c14-8-2-1-7(5-9(8)15)20-12-10(16)3-6(13(18)19)4-11(12)17/h1-5H,(H3,18,19)
InChIKeyKXRAMXPVTGRZAS-UHFFFAOYSA-N
XLogP3.83
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.67
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-(4-chlorophenoxy)-3,5-difluorobenzenecarboximidamide
CID 81293743
4-(2,5-dichlorophenoxy)-3,5-difluorobenzenecarboximidamide
CID 81293557
3,5-difluoro-4-[4-(2-hydroxyethyl)phenoxy]benzenecarboximidamide
CID 107709002
3,5-difluoro-4-pyridin-3-yloxybenzenecarboximidamide
CID 81293654
2-(4-chloro-3-fluorophenoxy)pyridine-3-carboximidamide
CID 82716806
4-[(5-bromo-3-pyridinyl)oxy]-3,5-difluorobenzenecarboximidamide
CID 81293284
4-[(3,4-dichlorophenoxy)methyl]-3-fluorobenzenecarboximidamide
CID 61000059
2-(4-chloro-3-fluorophenoxy)propanimidamide
CID 82716648
4-(4-chloro-3-fluorophenoxy)-3-fluorobenzenecarbothioamide
CID 82717287
4-(4-bromo-3-fluorophenoxy)-2-chlorobenzenecarboximidamide
CID 65203810
4-(4-chloro-3-ethylphenoxy)-3,5-difluorobenzenecarbothioamide
CID 81286204
4-(4-bromo-2-methylphenoxy)-3,5-difluorobenzenecarboximidamide
CID 81293478

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-3-fluorophenoxy)-3,5-difluorobenzenecarboximidamide?
The IUPAC name of 4-(4-chloro-3-fluorophenoxy)-3,5-difluorobenzenecarboximidamide (CID 82717295) is 4-(4-chloro-3-fluorophenoxy)-3,5-difluorobenzenecarboximidamide.
What is the SMILES notation for 4-(4-chloro-3-fluorophenoxy)-3,5-difluorobenzenecarboximidamide?
The canonical SMILES for 4-(4-chloro-3-fluorophenoxy)-3,5-difluorobenzenecarboximidamide is [H]/N=C(\N)c1cc(F)c(Oc2ccc(Cl)c(F)c2)c(F)c1.
What is the InChIKey of 4-(4-chloro-3-fluorophenoxy)-3,5-difluorobenzenecarboximidamide?
The InChIKey is KXRAMXPVTGRZAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClF3N2O/c14-8-2-1-7(5-9(8)15)20-12-10(16)3-6(13(18)19)4-11(12)17/h1-5H,(H3,18,19).
What are the key properties of 4-(4-chloro-3-fluorophenoxy)-3,5-difluorobenzenecarboximidamide?
4-(4-chloro-3-fluorophenoxy)-3,5-difluorobenzenecarboximidamide has a molecular weight of 300.67 g/mol, XLogP of 3.83, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-3-fluorophenoxy)-3,5-difluorobenzenecarboximidamide is sourced from PubChem (CID 82717295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).